Geometry & MOs

Info

ID:	271560
PubChem CID:	103684082
Reduced:	O2N3C10H17 (1)
Stoich.:	A2B3C10D17 (1)
Weight, g/mol:	229.122655
ΔH_f, kcal/mol:	-64.47
Dipole, Da:	1.61
IP(EA), eV:	-8.98(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-4-methoxybutan-1-ol

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)NC(CCO)COC

DOS

IR

Vibrations